[4-(2,5-dimethyl-3-morpholin-4-ylcarbothioyl-pyrrol-1-yl)phenyl] benzenesulfonate

Systemtic Name: [4-(2,5-dimethyl-3-morpholin-4-ylcarbothioyl-pyrrol-1-yl)phenyl] benzenesulfonate Openeye Name: [4-[2,5-dimethyl-3-(morpholine-4-carbothioyl)pyrrol-1-yl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[2,5-dimethyl-3-[4-morpholinyl(sulfanylidene)methyl]-1-pyrrolyl]phenyl] ester IUPAC Name: [4-[2,5-dimethyl-3-(morpholine-4-carbothioyl)pyrrol-1-yl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[2,5-dimethyl-3-(morpholine-4-carbothioyl)pyrrol-1-yl]phenyl] ester Formula: C23H24N2O4S2 MolecularWeight: 456.57766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)C)C(=S)N4CCOCC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)C)C(=S)N4CCOCC4

InChI

InChI=1S/C23H24N2O4S2/c1-17-16-22(23(30)24-12-14-28-15-13-24)18(2)25(17)19-8-10-20(11-9-19)29-31(26,27)21-6-4-3-5-7-21/h3-11,16H,12-15H2,1-2H3